CID 12431621

Cyclobutanecarboxaldehyde

Structural Information

Molecular Formula
C5H8O
SMILES
C1CC(C1)C=O
InChI
InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2
InChIKey
INVYSLWXPIEDIQ-UHFFFAOYSA-N
Compound name
cyclobutanecarbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

5587
Patents

84.05752 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.064796 112.8
[M+Na]+ 107.04674 119.8
[M+NH4]+ 102.09134 118.2
[M+K]+ 123.02068 116.0
[M-H]- 83.050244 111.7
[M+Na-2H]- 105.03219 116.5
[M]+ 84.056971 112.2
[M]- 84.058069 112.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe